4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide

C11H15BrFNO2S — CID 10881860

IUPAC4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CBr)cc1F
InChIInChI=1S/C11H15BrFNO2S/c1-11(2,3)14-17(15,16)10-5-4-8(7-12)6-9(10)13/h4-6,14H,7H2,1-3H3
InChIKeyRXOZNZCIVKKXFI-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.80
Rot. Bonds3

About 4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide

4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide (PubChem CID 10881860) has the molecular formula C11H15BrFNO2S and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide
PubChem CID10881860
Molecular FormulaC11H15BrFNO2S
Molecular Weight324.22 g/mol
Exact Mass323.00
IUPAC Name4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(CBr)cc1F
InChIInChI=1S/C11H15BrFNO2S/c1-11(2,3)14-17(15,16)10-5-4-8(7-12)6-9(10)13/h4-6,14H,7H2,1-3H3
InChIKeyRXOZNZCIVKKXFI-UHFFFAOYSA-N
XLogP2.80
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide (CID 10881860) is 4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(CBr)cc1F.
What is the InChIKey of 4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
The InChIKey is RXOZNZCIVKKXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrFNO2S/c1-11(2,3)14-17(15,16)10-5-4-8(7-12)6-9(10)13/h4-6,14H,7H2,1-3H3.
What are the key properties of 4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide?
4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide has a molecular weight of 324.22 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-tert-butyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 10881860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).